SCHEMBL14743106

SCHEMBL14743106

COC(=O)c1ccc(NC(=O)c2ccccc2)c2c(Cl)cc(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ SERPINE1 P05121 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14743883 0.90 MAPK1 (0.46) KDM4EMAPK1HSD17B10ALDH1A1MEN1
SCHEMBL14743739 0.82 MEN1 (0.48) KDM4EMAPK1HSD17B10ALDH1A1MEN1
SCHEMBL14742913 0.77 RAB9A (0.49) KDM4EMAPK1HSD17B10ALDH1A1MEN1
SCHEMBL14743740 0.76 ACLY (0.45) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4241238 0.74 KMT2A (0.68) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL7038564 0.72 ACLY (0.67) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL11665959 0.72 TSHR (0.77) KDM4EMAPK1HSD17B10ALDH1A1MEN1
SCHEMBL8804658 0.72 KDM4E (0.82) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2275077 0.72 KDM4E (0.66) KDM4EMAPK1HSD17B10ALDH1A1MEN1
SCHEMBL2276099 0.72 KDM4E (0.66) KDM4EMAPK1HSD17B10ALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 — — WO disclosed
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